Phenolphthalein monophosphate
TL;DR: Phenolphthalein monophosphate (CAS 13410-45-2) is a chemical compound with molecular formula C20H15O7P and molecular weight 398.05554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-hydroxyphenyl) [4-(3-oxo-1H-2-benzofuran-1-yl)phenyl] hydrogen phosphate
Also Known As: Phenolphthalein monophosphate, SID:53790045, Phenolphthalein, mono(dihydrogen phosphate), (4-hydroxyphenyl) [4-(3-oxo-1H-2-benzofuran-1-yl)phenyl] hydrogen phosphate, 1(3H)-Isobenzofuranone, 3-(4-hydroxyphenyl)-3-(4-(phosphonooxy)phenyl)-
Technical Specifications
| Molecular Formula | C20H15O7P |
| Molecular Weight | 398.05554 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.05554 Da |
| Heavy Atoms | 28 |
| Complexity | 595.0 |
| SMILES | C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(C=C3)OP(=O)(O)OC4=CC=C(C=C4)O |
| InChIKey | ANAZDOWEOOFEET-UHFFFAOYSA-N |
Chemical Property Profile of Phenolphthalein monophosphate
Property Insights of Phenolphthalein monophosphate
The XLogP value of 3.0 indicates that Phenolphthalein monophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenolphthalein monophosphate. Following Lipinski's Rule of Five, Phenolphthalein monophosphate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenolphthalein monophosphate?
The CAS number of Phenolphthalein monophosphate is 13410-45-2.
What is the molecular formula of Phenolphthalein monophosphate?
The molecular formula of Phenolphthalein monophosphate is C20H15O7P.
What is the molecular weight of Phenolphthalein monophosphate?
The molecular weight of Phenolphthalein monophosphate is 398.05554 g/mol.
Where can I buy Phenolphthalein monophosphate?
You can request a quote for Phenolphthalein monophosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenolphthalein monophosphate?
Yes, CoreyChem provides custom synthesis services for Phenolphthalein monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.